2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C18H25N3O2 — CID 68919385

IUPAC2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(C(CN)c2ccc(OCCC3CCCC3)cc2)n1
InChIInChI=1S/C18H25N3O2/c1-13-20-18(23-21-13)17(12-19)15-6-8-16(9-7-15)22-11-10-14-4-2-3-5-14/h6-9,14,17H,2-5,10-12,19H2,1H3
InChIKeyCJDZRAVSJOMJGW-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.43
Rot. Bonds7

About 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 68919385) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID68919385
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(C(CN)c2ccc(OCCC3CCCC3)cc2)n1
InChIInChI=1S/C18H25N3O2/c1-13-20-18(23-21-13)17(12-19)15-6-8-16(9-7-15)22-11-10-14-4-2-3-5-14/h6-9,14,17H,2-5,10-12,19H2,1H3
InChIKeyCJDZRAVSJOMJGW-UHFFFAOYSA-N
XLogP3.43
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 68919385) is 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc(C(CN)c2ccc(OCCC3CCCC3)cc2)n1.
What is the InChIKey of 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is CJDZRAVSJOMJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-20-18(23-21-13)17(12-19)15-6-8-16(9-7-15)22-11-10-14-4-2-3-5-14/h6-9,14,17H,2-5,10-12,19H2,1H3.
What are the key properties of 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 315.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopentylethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 68919385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).